2-(pyridin-4-ylmethylsulfanyl)-N-[3,4,5-tris(chloranyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-N-[3,4,5-tris(chloranyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-(4-pyridylmethylsulfanyl)-N-(3,4,5-trichlorophenyl)pyridine-3-carboxamide CAS Name: 2-(pyridin-4-ylmethylthio)-N-(3,4,5-trichlorophenyl)-3-pyridinecarboxamide IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-N-(3,4,5-trichlorophenyl)pyridine-3-carboxamide Traditional Name: 2-(4-pyridylmethylthio)-N-(3,4,5-trichlorophenyl)nicotinamide Formula: C18H12Cl3N3OS MolecularWeight: 424.73138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC(=C(C(=C3)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC(=C(C(=C3)Cl)Cl)Cl

InChI

InChI=1S/C18H12Cl3N3OS/c19-14-8-12(9-15(20)16(14)21)24-17(25)13-2-1-5-23-18(13)26-10-11-3-6-22-7-4-11/h1-9H,10H2,(H,24,25)